4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol

C15H18ClN3O — CID 120962551

IUPAC4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H18ClN3O/c16-13-4-3-10(15-12(13)2-1-5-19-15)6-17-7-11-8-18-9-14(11)20/h1-5,11,14,17-18,20H,6-9H2
InChIKeyYFMFMKHFSVLFPA-UHFFFAOYSA-N
MW291.78 g/mol
LogP1.56
Rot. Bonds4

About 4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol

4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962551) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120962551
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol
SMILESOC1CNCC1CNCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H18ClN3O/c16-13-4-3-10(15-12(13)2-1-5-19-15)6-17-7-11-8-18-9-14(11)20/h1-5,11,14,17-18,20H,6-9H2
InChIKeyYFMFMKHFSVLFPA-UHFFFAOYSA-N
XLogP1.56
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962086
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961741
2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120943944
5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one
CID 115697510
N-[(5-chloroquinolin-8-yl)methyl]-1-(thian-2-yl)methanamine
CID 115959439
N-[(5-chloroquinolin-8-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103765936
8-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-5-chloroquinoline;hydrochloride
CID 120661005
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103766069
N-[(5-chloroquinolin-8-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115697579

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol (CID 120962551) is 4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol is OC1CNCC1CNCc1ccc(Cl)c2cccnc12.
What is the InChIKey of 4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is YFMFMKHFSVLFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-13-4-3-10(15-12(13)2-1-5-19-15)6-17-7-11-8-18-9-14(11)20/h1-5,11,14,17-18,20H,6-9H2.
What are the key properties of 4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 291.78 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).